methyl (2S)-2-methoxy-3,4-dimethyl-2H-pyran-6-carboxylate

C10H14O4 — CID 125474655

IUPACmethyl (2S)-2-methoxy-3,4-dimethyl-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=CC(C)=C(C)[C@@H](OC)O1
InChIInChI=1S/C10H14O4/c1-6-5-8(9(11)12-3)14-10(13-4)7(6)2/h5,10H,1-4H3/t10-/m0/s1
InChIKeyTZIUBVORBBVORI-JTQLQIEISA-N
MW198.22 g/mol
LogP1.38
Rot. Bonds2

About methyl (2S)-2-methoxy-3,4-dimethyl-2H-pyran-6-carboxylate

methyl (2S)-2-methoxy-3,4-dimethyl-2H-pyran-6-carboxylate (PubChem CID 125474655) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is methyl (2S)-2-methoxy-3,4-dimethyl-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-methoxy-3,4-dimethyl-2H-pyran-6-carboxylate
PubChem CID125474655
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Namemethyl (2S)-2-methoxy-3,4-dimethyl-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=CC(C)=C(C)[C@@H](OC)O1
InChIInChI=1S/C10H14O4/c1-6-5-8(9(11)12-3)14-10(13-4)7(6)2/h5,10H,1-4H3/t10-/m0/s1
InChIKeyTZIUBVORBBVORI-JTQLQIEISA-N
XLogP1.38
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-2-oxo-2H-pyran-6-carboxylate
CID 2739565
Qlgkdnakgubftf-uhfffaoysa-
CID 13153938
methyl 1-methoxy-5,8-dioxo-1H-isochromene-3-carboxylate
CID 18932697
Ethyl 3-fluoro-4-methyl-6-oxopyran-2-carboxylate
CID 14516685
(5-ethoxy-3,3-dimethyl-6-oxo-2H-pyran-2-yl) acetate
CID 12927645
Ethyl 3,4-dimethyl-6-oxopyran-2-carboxylate
CID 45076193
ethyl (2S,4R)-2-ethoxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 45094352
ethyl (2R,4R)-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate
CID 101018353
ethyl (4aR,7aS)-2,3,4a,7a-tetrahydrofuro[2,3-b][1,4]dioxine-6-carboxylate
CID 162409041
Ethyl 6-oxo-3-propylpyran-2-carboxylate
CID 164685051
Ethyl 3-methyl-6-oxopyran-2-carboxylate
CID 164685513
Tetraethyl delta4,4'-BI-4H-pyran-2,2',6,6'-tetracarboxylate
CID 3629132

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-methoxy-3,4-dimethyl-2H-pyran-6-carboxylate?
The IUPAC name of methyl (2S)-2-methoxy-3,4-dimethyl-2H-pyran-6-carboxylate (CID 125474655) is methyl (2S)-2-methoxy-3,4-dimethyl-2H-pyran-6-carboxylate.
What is the SMILES notation for methyl (2S)-2-methoxy-3,4-dimethyl-2H-pyran-6-carboxylate?
The canonical SMILES for methyl (2S)-2-methoxy-3,4-dimethyl-2H-pyran-6-carboxylate is COC(=O)C1=CC(C)=C(C)[C@@H](OC)O1.
What is the InChIKey of methyl (2S)-2-methoxy-3,4-dimethyl-2H-pyran-6-carboxylate?
The InChIKey is TZIUBVORBBVORI-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14O4/c1-6-5-8(9(11)12-3)14-10(13-4)7(6)2/h5,10H,1-4H3/t10-/m0/s1.
What are the key properties of methyl (2S)-2-methoxy-3,4-dimethyl-2H-pyran-6-carboxylate?
methyl (2S)-2-methoxy-3,4-dimethyl-2H-pyran-6-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-methoxy-3,4-dimethyl-2H-pyran-6-carboxylate is sourced from PubChem (CID 125474655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).